Geometry & MOs

Info

ID:	374743
PubChem CID:	131342589
Reduced:	ClN2H7C11 (1)
Stoich.:	AB2C7D11 (1)
Weight, g/mol:	202.029776
ΔH_f, kcal/mol:	65.04
Dipole, Da:	1.98
IP(EA), eV:	-9.55(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-4-methylisoquinoline-6-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(C=CC=C2C(=N1)Cl)C#N

DOS

IR

Vibrations